Popular repositories Loading

1. GoodVibes GoodVibes Public

   Forked from patonlab/GoodVibes

   Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

   Python

2. MolSSI-Workshops MolSSI-Workshops Public

   Jupyter Notebook

3. Data-Basics Data-Basics Public

   Forked from RCEatPitt/Data-Basics

   Materials for the Data Basics Workshop Series

   Jupyter Notebook

4. Pitt_Workshop_2022 Pitt_Workshop_2022 Public

   Forked from DulceMariscal/Pitt_Workshop_2022

   Slides and materials for Pitt workshop.

   Jupyter Notebook

5. auto-qchem auto-qchem Public

   Forked from doyle-lab-ucla/auto-qchem

   Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.

   Jupyter Notebook

6. finder_colors finder_colors Public

   Forked from danthedeckie/finder_colors

   Set the color of files/folders for OSX Finder from the command line.

   Python